2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole

Systemtic Name: 2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole Openeye Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-5-(4-pyridyl)-1,3,4-oxadiazole CAS Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-5-pyridin-4-yl-1,3,4-oxadiazole IUPAC Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole Traditional Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-5-(4-pyridyl)-1,3,4-oxadiazole Formula: C17H14ClN3O3S MolecularWeight: 375.82936

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CSC3=NN=C(O3)C4=CC=NC=C4)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CSC3=NN=C(O3)C4=CC=NC=C4)Cl)OC1

InChI

InChI=1S/C17H14ClN3O3S/c18-13-8-11(9-14-15(13)23-7-1-6-22-14)10-25-17-21-20-16(24-17)12-2-4-19-5-3-12/h2-5,8-9H,1,6-7,10H2